SCHEMBL4924438

SCHEMBL4924438

CCOc1cc(OC[C@H]2COCCN2C(=O)O)c2c(=O)[nH]cnc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.34
CPT1A P50416 1/20 0.34
LRRK2 Q5S007 2/20 0.33
FPR2 P25090 1/20 0.32
PDK1 Q15118 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4924585 0.86 ALDH1A1 (0.36) CPT1AMEN1KMT2AMAPTALDH1A1
SCHEMBL2797321 0.85 CPT1A (0.36) CPT1AMEN1KMT2AMAPTALDH1A1
SCHEMBL4923369 0.83 S1PR1 (0.34) PDK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4924459 0.83 BRD4 (0.38) SYKMEN1KMT2AMAPTALDH1A1
SCHEMBL3428136 0.78 F2RL3 (0.38)
SCHEMBL2799815 0.77 DAGLB (0.39) CPT1A
SCHEMBL14089392 0.76 CHRNB4 (0.41)
SCHEMBL3187133 0.74 NPC1 (0.44) MAPTNPC1RAB9AHSD17B10KDM4E
SCHEMBL30353899 0.74 NPC1 (0.44) MAPTNPC1RAB9AHSD17B10KDM4E
SCHEMBL3520472 0.74 SPHK2 (0.43) CPT1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors ASTRAZENECA AB (SE) 2008-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors AURKA, AURKC, AURKB SYK 1206/4885CPT1A 2499/4885LRRK2 915/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.